SCHEMBL1964549

SCHEMBL1964549

CCOC(=O)c1cncnc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
ALDH1A1 P00352 8/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHEK2 O96017 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7844021 0.85 TSHR (0.47) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL29906642 0.83 TSHR (0.48) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL1669584 0.83 TSHR (0.48) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL9631461 0.82 TSHR (0.44) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL2327456 0.81 TSHR (0.47) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL31351961 0.81 TSHR (0.47) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL3046078 0.81 KDM4E (0.50) ALDH1A1MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL23143261 0.80 TSHR (0.46) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL8682515 0.80 HSP90AA1 (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL2217314 0.80 ALDH1A1 (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
CN-102675218-B Herbicidal pyrimidines DU PONT 2015-04-01 CN disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 WO disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 WO disclosed
US-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
EP-0061019-A1 Method for the preparation of 2-alkoxy-4-aminopyrimidines HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1982-09-29 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 RAB9A 2695/4885ALDH1A1 3074/4885NPC1 1090/4885
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 RAB9A 2695/4885ALDH1A1 3074/4885NPC1 1090/4885
US-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi CBR3, C1R, CBR1 RAB9A 1906/4885ALDH1A1 3018/4885NPC1 880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.